Molecular properties
- Formula
- C16H14N
- Molar mass
- 220.29 g·mol−1
- Exact mass
- 220.1121 Da
- Formal charge
- +
- 10.5
- PubChem CID
- 118856
Molecule record
2-benzylisoquinolin-2-ium
C16H14N
220.29 g/mol
Charge +
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 2-(Phenylmethyl)isoquinolinium
- 2-benzylisoquinoline
- 2-benzylisoquinolinium
- 38602-73-2
- AB00895860-05
- AC-907/25005327
- AC-907/25005328
- CHEMBL1740400
Show all 14 synonyms
- Isoquinolinium, 2-(phenylmethyl)-
- N-Benzylisoquinolinium
- PK04_181155
- SBB095992
- SCHEMBL1127774
- W86TXZ4WSR
Structure identifiers
- Canonical SMILES
- c1ccc(C[n+]2ccc3ccccc3c2)cc1
- Isomeric SMILES
- C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2
- InChI
- InChI=1S/C16H14N/c1-2-6-14(7-3-1)12-17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13H,12H2/q+1
- InChIKey
- SKWVBQXMMPBKGW-UHFFFAOYSA-N
- PubChem CID
- 118856
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 2-benzylisoquinolin-2-ium; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-benzylisoquinolin-2-ium; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.